2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide

C15H21FN2O3 — CID 155983055

IUPAC2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(Cc2ccc(F)cc2)(C(=O)NCCO)C1
InChIInChI=1S/C15H21FN2O3/c1-18-7-9-21-15(11-18,14(20)17-6-8-19)10-12-2-4-13(16)5-3-12/h2-5,19H,6-11H2,1H3,(H,17,20)
InChIKeyGRUKRNCXHGSZNL-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.18
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide

2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide (PubChem CID 155983055) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
PubChem CID155983055
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(Cc2ccc(F)cc2)(C(=O)NCCO)C1
InChIInChI=1S/C15H21FN2O3/c1-18-7-9-21-15(11-18,14(20)17-6-8-19)10-12-2-4-13(16)5-3-12/h2-5,19H,6-11H2,1H3,(H,17,20)
InChIKeyGRUKRNCXHGSZNL-UHFFFAOYSA-N
XLogP0.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 92592685
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942
2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide
CID 110233454
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 129457272
4-(2,2-dimethylpropanoyl)-2-[[4-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 110233459
(2S)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-2-carboxamide
CID 129455270
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 129454956
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide
CID 132779173
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
CID 83818582
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide (CID 155983055) is 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide is CN1CCOC(Cc2ccc(F)cc2)(C(=O)NCCO)C1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is GRUKRNCXHGSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-18-7-9-21-15(11-18,14(20)17-6-8-19)10-12-2-4-13(16)5-3-12/h2-5,19H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide?
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 155983055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).